3-[(cyclobutylamino)methyl]-1H-indol-5-amine

C13H17N3 — CID 117174943

IUPAC3-[(cyclobutylamino)methyl]-1H-indol-5-amine
SMILESNc1ccc2[nH]cc(CNC3CCC3)c2c1
InChIInChI=1S/C13H17N3/c14-10-4-5-13-12(6-10)9(8-16-13)7-15-11-2-1-3-11/h4-6,8,11,15-16H,1-3,7,14H2
InChIKeyYBKQHQVBGHJZMZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.39
Rot. Bonds3

About 3-[(cyclobutylamino)methyl]-1H-indol-5-amine

3-[(cyclobutylamino)methyl]-1H-indol-5-amine (PubChem CID 117174943) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-[(cyclobutylamino)methyl]-1H-indol-5-amine.

Molecular Properties

Compound Name3-[(cyclobutylamino)methyl]-1H-indol-5-amine
PubChem CID117174943
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-[(cyclobutylamino)methyl]-1H-indol-5-amine
SMILESNc1ccc2[nH]cc(CNC3CCC3)c2c1
InChIInChI=1S/C13H17N3/c14-10-4-5-13-12(6-10)9(8-16-13)7-15-11-2-1-3-11/h4-6,8,11,15-16H,1-3,7,14H2
InChIKeyYBKQHQVBGHJZMZ-UHFFFAOYSA-N
XLogP2.39
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine
CID 117174955
3-[(cyclobutylamino)methyl]-1H-indol-4-amine
CID 117171132
3-[3-(methylamino)cyclohexyl]-1H-indol-5-amine
CID 89186473
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
CID 59715791
2-(5-amino-1H-indol-3-yl)acetic acid
CID 24974925
N-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine
CID 117184532
3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine
CID 117178816
3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride
CID 174431068
4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol
CID 78968534
2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide
CID 62330627
N-[(6-chloro-1H-indol-3-yl)methyl]-4-methylcyclohexan-1-amine
CID 78968600
3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine
CID 18894

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclobutylamino)methyl]-1H-indol-5-amine?
The IUPAC name of 3-[(cyclobutylamino)methyl]-1H-indol-5-amine (CID 117174943) is 3-[(cyclobutylamino)methyl]-1H-indol-5-amine.
What is the SMILES notation for 3-[(cyclobutylamino)methyl]-1H-indol-5-amine?
The canonical SMILES for 3-[(cyclobutylamino)methyl]-1H-indol-5-amine is Nc1ccc2[nH]cc(CNC3CCC3)c2c1.
What is the InChIKey of 3-[(cyclobutylamino)methyl]-1H-indol-5-amine?
The InChIKey is YBKQHQVBGHJZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c14-10-4-5-13-12(6-10)9(8-16-13)7-15-11-2-1-3-11/h4-6,8,11,15-16H,1-3,7,14H2.
What are the key properties of 3-[(cyclobutylamino)methyl]-1H-indol-5-amine?
3-[(cyclobutylamino)methyl]-1H-indol-5-amine has a molecular weight of 215.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclobutylamino)methyl]-1H-indol-5-amine is sourced from PubChem (CID 117174943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).